3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 66030232

IUPAC3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)C1)c1cccnc1
InChIInChI=1S/C14H19N3O3/c1-9(11-3-2-6-15-8-11)16-14(20)17-12-5-4-10(7-12)13(18)19/h2-3,6,8-10,12H,4-5,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRKYUPNYKLVLPPA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds4

About 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030232) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030232
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)C1)c1cccnc1
InChIInChI=1S/C14H19N3O3/c1-9(11-3-2-6-15-8-11)16-14(20)17-12-5-4-10(7-12)13(18)19/h2-3,6,8-10,12H,4-5,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRKYUPNYKLVLPPA-UHFFFAOYSA-N
XLogP1.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 66030232) is 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(NC(=O)NC1CCC(C(=O)O)C1)c1cccnc1.
What is the InChIKey of 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RKYUPNYKLVLPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(11-3-2-6-15-8-11)16-14(20)17-12-5-4-10(7-12)13(18)19/h2-3,6,8-10,12H,4-5,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).